phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate

C28H30N4O2 — CID 18982048

IUPACphenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN=C1C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C28H30N4O2/c33-28(34-25-14-8-3-9-15-25)32-17-16-29-27(32)26-22-30(20-23-10-4-1-5-11-23)18-19-31(26)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyAXIZQOLEYNAFQI-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.29
Rot. Bonds6

About phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate

phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 18982048) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID18982048
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Namephenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN=C1C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C28H30N4O2/c33-28(34-25-14-8-3-9-15-25)32-17-16-29-27(32)26-22-30(20-23-10-4-1-5-11-23)18-19-31(26)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyAXIZQOLEYNAFQI-UHFFFAOYSA-N
XLogP4.29
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate (CID 18982048) is phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate is O=C(Oc1ccccc1)N1CCN=C1C1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is AXIZQOLEYNAFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-28(34-25-14-8-3-9-15-25)32-17-16-29-27(32)26-22-30(20-23-10-4-1-5-11-23)18-19-31(26)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2.
What are the key properties of phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate?
phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1,4-dibenzylpiperazin-2-yl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 18982048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).